SCHEMBL10160937

SCHEMBL10160937

NC(=O)c1cc(-c2cnc(Nc3ncc(CN4CC5CC4CO5)o3)c3nccn23)co1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 8/20 0.49
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
METTL3 Q86U44 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
IDH1 O75874 1/20 0.31
TTK P33981 3/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
PDE1B Q01064 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10160919 0.88 MAPKAPK5 (0.49) MAPKAPK5WNT1GSK3BDYRK1AMETTL3
SCHEMBL10160887 0.85 MAPKAPK5 (0.49) MAPKAPK5WNT1GSK3BDYRK1AMETTL3
SCHEMBL10160944 0.85 MAPKAPK5 (0.51) MAPKAPK5TTK
SCHEMBL10160875 0.83 MAPKAPK5 (0.48) MAPKAPK5WNT1GSK3BDYRK1AMETTL3
SCHEMBL10160941 0.81 MAPKAPK5 (0.65) MAPKAPK5TTK
SCHEMBL10160929 0.80 MAPKAPK5 (0.50) MAPKAPK5JAK2JAK1TTK
SCHEMBL10160901 0.79 MAPKAPK5 (0.52) MAPKAPK5WNT1GSK3BDYRK1APDE1B
SCHEMBL10160890 0.77 MAPKAPK5 (0.49) MAPKAPK5
SCHEMBL10160878 0.75 MAPKAPK5 (0.48) MAPKAPK5TTK
SCHEMBL279683 0.73 MAPKAPK5 (0.60) MAPKAPK5TTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006237-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2015-04-14 US disclosed
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases ANDREWS MARTIN JAMES INGLIS (BE) 2012-09-13 US disclosed
US-8148369-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-04-03 US disclosed
US-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, N.V. (BE) 2009-01-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885WNT1 2115/4885GSK3B 4585/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 MAPKAPK5 307/4885WNT1 2115/4885GSK3B 4585/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.